Table

Global minima of LJN for N less than 110. The references in which each minimum was first reported (to the best of our knowledge) is given. The unit of energy is the pair well depth.

Click on a label to access the points file for the structure in Cartesian coordinates.
Or click here for a tar file of all the points.
The unit of length is sigma.

Lennard-Jones Clusters
NPGEnergyRef. NPGEnergyRef.
2Dinfty h-1.000000 57Cs-288.342625Northby
3D3h-3.000000 58C3v-294.378148Northby
4Td-6.000000 59C2v-299.738070Northby
5D3h-9.103852Hoare 60Cs-305.875476Northby
6Oh-12.712062Hoare 61C2v-312.008896Northby
7D5h-16.505384Hoare 62Cs-317.353901Northby
8Cs-19.821489Hoare 63C1-323.489734Northby
9C2v-24.113360Hoare 64Cs-329.620147Northby
10C3v-28.422532Hoare 65C2-334.971532Xue
11C2v-32.765970Hoare 66C1-341.110599Coleman/Xue
12C5v-37.967600Hoare 67Cs-347.252007Northby
13Ih-44.326801Hoare 68C1-353.394542Northby
14C3v-47.845157Hoare 69C5v-359.882566Wales
15C2v-52.322627Hoare 70C5v-366.892251Northby
16Cs-56.815742Hoare 71C5v-373.349661Northby
17C2-61.317995Freeman 72Cs-378.637253Coleman
18C5v-66.530949Hoare 73Cs-384.789377Northby
19D5h-72.659782Hoare 74Cs-390.908500Northby
20C2v-77.177043Hoare 75D5h-397.492331Doye1
21C2v-81.684571Hoare 76Cs-402.894866Doye1
22Cs-86.809782Northby 77C2v-409.083517Doye1
23D3h-92.844472Farges 78Cs-414.794401Wales
24Cs-97.348815Wille 79C2v-421.810897Northby
25Cs-102.372663Hoare 80Cs-428.083564Northby
26Td-108.315616Hoare 81C2v-434.343643Northby
27C2v-112.873584Northby 82C1-440.550425Northby
28Cs-117.822402Northby 83C2v-446.924094Northby
29D3h-123.587371Hoare 84C1-452.657214Northby
30C2v-128.286571Northby 85C3v-459.055799Northby
31Cs-133.586422Northby 86C1-465.384493Northby
32C2v-139.635524Northby 87Cs-472.098165Northby
33Cs-144.842719Northby 88Cs-479.032630Deaven
34C2v-150.044528Northby 89C3v-486.053911Northby
35C1-155.756643Northby 90Cs-492.433908Northby
36Cs-161.825363Northby 91Cs-498.811060Northby
37C1-167.033672Northby 92C3v-505.185309Northby
38Oh-173.928427Pillardy/Doye1 93C1-510.877688Northby
39C5v-180.033185Northby 94C1-517.264131Northby
40Cs-185.249839Northby 95C1-523.640211Northby
41Cs-190.536277Northby 96C1-529.879146Northby
42Cs-196.277534Northby 97C1-536.681383Northby
43Cs-202.364664Northby 98Cs-543.642957Deaven
44C1-207.688728Northby 99C2v-550.666526Northby
45C1-213.784862Northby 100Cs-557.039820Northby
46C2v-220.680330Northby 101C2v-563.411308Northby
47C1-226.012256Northby 102C2v-569.363652Doye2
48Cs-232.199529Northby 103Cs-575.766131Doye2
49C3v-239.091864Northby 104C2v-582.086642Doye2
50Cs-244.549926Northby 105C1-588.266501Northby
51C2v-251.253964Northby 106C1-595.061072Northby
52C3v-258.229991Northby 107Cs-602.007110Wales
53C2v-265.203016Northby 108Cs-609.033011Northby
54C5v-272.208631Northby 109C1-615.411166Northby
55Ih-279.248470Hoarec 110Cs-621.788224Northby
56C3v-283.643105Northby

Lowest energy icosahedral minima at sizes with non-icosahedral global minima.

Lowest Energy Icosahedral
NPGEnergy Ref.
38C5v-173.252378Deaven
75C1-396.282249Doye1
76C1-402.384580Xue
77C1-408.518265Xue
102Cs-569.277721Northby
103C1-575.658879Northby
104Cs-582.038429Northby

Key to first references
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J. Doye © 1997